>compound Isonicotinic acid_Isonicotinic acid
#instrument UPLC Q-Tof Premier, Waters
>formula C6H5NO2
#smiles OC(=O)c(c1)ccnc1
#RECORD LC-ESI-QTOF_train_data/PR100577.txt;LC-ESI-QTOF_train_data/PR100155.txt;LC-ESI-QTOF_train_data/PR100156.txt
>charge -1
>ionization [M-H]-
>parentmass 122.02423

>collision 5-60
78.0353 197.1
122.0242 86.41

>collision 5-60
80.0519 680.2
96.0469 573.2
124.0398 2674.0

>collision 30
78.035 50.15
79.0419 86.94
80.0498 208.6
96.0452 123.1
124.0398 93.25

